2-tert-butyl-5-fluoropyrimidin-4-amine

C8H12FN3 — CID 153204181

IUPAC2-tert-butyl-5-fluoropyrimidin-4-amine
SMILESCC(C)(C)c1ncc(F)c(N)n1
InChIInChI=1S/C8H12FN3/c1-8(2,3)7-11-4-5(9)6(10)12-7/h4H,1-3H3,(H2,10,11,12)
InChIKeyWKMMJQQCKZSCLF-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.50
Rot. Bonds

About 2-tert-butyl-5-fluoropyrimidin-4-amine

2-tert-butyl-5-fluoropyrimidin-4-amine (PubChem CID 153204181) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-fluoropyrimidin-4-amine
PubChem CID153204181
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name2-tert-butyl-5-fluoropyrimidin-4-amine
SMILESCC(C)(C)c1ncc(F)c(N)n1
InChIInChI=1S/C8H12FN3/c1-8(2,3)7-11-4-5(9)6(10)12-7/h4H,1-3H3,(H2,10,11,12)
InChIKeyWKMMJQQCKZSCLF-UHFFFAOYSA-N
XLogP1.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
4-Amino-2-methylpyrimidine-5-carbonitrile
CID 69682
2-Methylpyrimidin-4-amine
CID 295763
2,5-Dimethylpyrimidin-4-Amine
CID 445779
2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
5-Fluoropyrimidine
CID 69605
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
4-N-(2,2-dimethylpropyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80818780
4-Amino-2-(diethylamino)-5-pyrimidinecarbonitrile
CID 2816412
5-Methylpyrimidin-4-amine
CID 21719209
2-Chloro-5-fluoropyrimidin-4-amine
CID 254372
Aminomethylpyrimidine
CID 6946837

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-fluoropyrimidin-4-amine (CID 153204181) is 2-tert-butyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-fluoropyrimidin-4-amine is CC(C)(C)c1ncc(F)c(N)n1.
What is the InChIKey of 2-tert-butyl-5-fluoropyrimidin-4-amine?
The InChIKey is WKMMJQQCKZSCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-8(2,3)7-11-4-5(9)6(10)12-7/h4H,1-3H3,(H2,10,11,12).
What are the key properties of 2-tert-butyl-5-fluoropyrimidin-4-amine?
2-tert-butyl-5-fluoropyrimidin-4-amine has a molecular weight of 169.20 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 153204181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).